4-(azepan-1-yl)-2-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 4-(azepan-1-yl)-2-(trifluoromethyl)benzenecarbothioamide Openeye Name: 4-(azepan-1-yl)-2-(trifluoromethyl)benzenecarbothioamide CAS Name: 4-(1-azepanyl)-2-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 4-(azepan-1-yl)-2-(trifluoromethyl)benzenecarbothioamide Traditional Name: 4-(azepan-1-yl)-2-(trifluoromethyl)thiobenzamide Formula: C14H17F3N2S MolecularWeight: 302.35839

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C=C2)C(=S)N)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C=C2)C(=S)N)C(F)(F)F

InChI

InChI=1S/C14H17F3N2S/c15-14(16,17)12-9-10(5-6-11(12)13(18)20)19-7-3-1-2-4-8-19/h5-6,9H,1-4,7-8H2,(H2,18,20)